ChemSpider 2D Image | alpha-D-Mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyrano syl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-1-O-[{[{[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadeca methyl-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-tetrahexacontapentadecaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-beta-D-glucopyranose | C138H230N2O52P2

α-D-Mannopyranosyl-(1->2)-α-D-mannopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[α-D-mannopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-α-D-mannopyranosyl-(1->6)]-β-D-mannopyrano syl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-1-O-[{[{[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadeca methyl-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-tetrahexacontapentadecaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-β-D-glucopyranose

  • Molecular FormulaC138H230N2O52P2
  • Average mass2811.232 Da
  • Monoisotopic mass2809.489014 Da
  • ChemSpider ID35032407

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 45 of 46 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(mannosyl)7-(N-acetylglucosaminyl)2-diphosphodolichol
[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-5-{[(2S,3S,4S,5R,6R)-6-({[(2S,3S,4S,5R,6R)-4-{[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.604
Molar Refractivity: 715.8±0.4 cm3
#H bond acceptors: 54
#H bond donors: 30
#Freely Rotating Bonds: 80
#Rule of 5 Violations: 4
ACD/LogP: 23.34
ACD/LogD (pH 5.5): 8.77
ACD/BCF (pH 5.5): 228111.98
ACD/KOC (pH 5.5): 12588.41
ACD/LogD (pH 7.4): 8.76
ACD/BCF (pH 7.4): 224434.67
ACD/KOC (pH 7.4): 12385.48
Polar Surface Area: 863 Å2
Polarizability: 283.7±0.5 10-24cm3
Surface Tension: 71.5±5.0 dyne/cm
Molar Volume: 2081.3±5.0 cm3

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